Disorder dependent half-metallicity in Mn2CoSi inverse Heusler alloy
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2014
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my.unimap-358692014-06-25T04:05:07Z Disorder dependent half-metallicity in Mn2CoSi inverse Heusler alloy Singh, Mukhtiyar P. Saini, Hardev S. Thakur, Jyoti Ali Hussain, Reshak, Prof. Dr. Kashyap, Manish K. msphysik09@gmail.com hardevdft@gmail.com maalidph@yahoo.co.uk manishdft@gmail.com DFT Disorder Half-metallicity Heusler alloys Link to publisher's homepage at http://www.elsevier.com/ Heusler alloys based thin-films often exhibit a degree of atomic disorder which leads to the lowering of spin polarization in spintronic devices. We present ab-initio calculations of atomic disorder effects on spin polarization and half-metallicity of Mn2CoSi inverse Heusler alloy. The five types of disorder in Mn2CoSi have been proposed and investigated in detail. The A2a-type and B2-type disorders destroy the half-metallicity whereas it sustains for all disorders concentrations in DO3a- and A2b-type disorder and for smallest disorder concentration studied in DO3b-type disorder. Lower formation energy/atom for A2b-type disorder than other four disorders in Mn2CoSi advocates the stability of this disorder. The total magnetic moment shows a strong dependence on the disorder and the change in chemical environment. The 100% spin polarization even in the presence of disorders explicitly supports that these disorders shall not hinder the use of Mn2CoSi inverse Heusler alloy in device applications. 2014-06-25T04:05:07Z 2014-06-25T04:05:07Z 2013 Article Journal of Solid State Chemistry, vol. 208, 2013, pages 71-77 0022-4596 (Print) 1095-726X (Online) http://www.sciencedirect.com/science/article/pii/S0022459613004568 http://dspace.unimap.edu.my:80/dspace/handle/123456789/35869 10.1016/j.jssc.2013.09.041 en Elsevier Ltd. |
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DFT Disorder Half-metallicity Heusler alloys |
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DFT Disorder Half-metallicity Heusler alloys Singh, Mukhtiyar P. Saini, Hardev S. Thakur, Jyoti Ali Hussain, Reshak, Prof. Dr. Kashyap, Manish K. Disorder dependent half-metallicity in Mn2CoSi inverse Heusler alloy |
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Link to publisher's homepage at http://www.elsevier.com/ |
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msphysik09@gmail.com |
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msphysik09@gmail.com Singh, Mukhtiyar P. Saini, Hardev S. Thakur, Jyoti Ali Hussain, Reshak, Prof. Dr. Kashyap, Manish K. |
| format |
Article |
| author |
Singh, Mukhtiyar P. Saini, Hardev S. Thakur, Jyoti Ali Hussain, Reshak, Prof. Dr. Kashyap, Manish K. |
| author_sort |
Singh, Mukhtiyar P. |
| title |
Disorder dependent half-metallicity in Mn2CoSi inverse Heusler alloy |
| title_short |
Disorder dependent half-metallicity in Mn2CoSi inverse Heusler alloy |
| title_full |
Disorder dependent half-metallicity in Mn2CoSi inverse Heusler alloy |
| title_fullStr |
Disorder dependent half-metallicity in Mn2CoSi inverse Heusler alloy |
| title_full_unstemmed |
Disorder dependent half-metallicity in Mn2CoSi inverse Heusler alloy |
| title_sort |
disorder dependent half-metallicity in mn2cosi inverse heusler alloy |
| publisher |
Elsevier Ltd. |
| publishDate |
2014 |
| url |
http://dspace.unimap.edu.my:80/dspace/handle/123456789/35869 |
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1643797916884664320 |